Mrv1909 11132016392D          

 18 19  0  0  0  0            999 V2000
   -0.2523   -0.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -0.3215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682   -1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4733    0.3947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4733   -1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877   -1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8369    1.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713    1.0432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010   -1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973   -0.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7106   -0.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9889   -0.3134    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106   -0.3134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9889    0.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9889   -1.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  2  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08329

> <DATABASE_NAME>
drugbank

> <SMILES>
NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)

> <INCHI_KEY>
HMHVCUVYZFYAJI-UHFFFAOYSA-N

> <FORMULA>
C10H14N2O4S2

> <MOLECULAR_WEIGHT>
290.359

> <EXACT_MASS>
290.039498326

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.8271222541726526e-11

> <JCHEM_AVERAGE_POLARIZABILITY>
27.86037121930325

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(1,1-dioxo-1lambda6,2-thiazinan-2-yl)benzene-1-sulfonamide

> <ALOGPS_LOGP>
0.37

> <JCHEM_LOGP>
-0.2659214819999998

> <ALOGPS_LOGS>
-2.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.54865541075375

> <JCHEM_POLAR_SURFACE_AREA>
97.53999999999999

> <JCHEM_REFRACTIVITY>
67.4606

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.96e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(1,1-dioxo-1lambda6,2-thiazinan-2-yl)benzenesulfonamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08329

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sulthiame

> <SYNONYMS>
Sulthiame; Sultiame; Sultiamo; Sultiamum

> <INTERNATIONAL_BRANDS>
Conadil; Contravul; Elisal; Ospolot

$$$$